4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine

C21H27N3O2 — CID 95889226

IUPAC4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine
SMILESC=CCC[C@@H](CN1CCOCC1)Oc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C21H27N3O2/c1-3-4-10-19(16-24-11-13-25-14-12-24)26-20-15-17(2)22-21(23-20)18-8-6-5-7-9-18/h3,5-9,15,19H,1,4,10-14,16H2,2H3/t19-/m0/s1
InChIKeyWUUGZSUNHKFBRG-IBGZPJMESA-N
MW353.47 g/mol
LogP3.50
Rot. Bonds8

About 4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine

4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine (PubChem CID 95889226) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine
PubChem CID95889226
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine
SMILESC=CCC[C@@H](CN1CCOCC1)Oc1cc(C)nc(-c2ccccc2)n1
InChIInChI=1S/C21H27N3O2/c1-3-4-10-19(16-24-11-13-25-14-12-24)26-20-15-17(2)22-21(23-20)18-8-6-5-7-9-18/h3,5-9,15,19H,1,4,10-14,16H2,2H3/t19-/m0/s1
InChIKeyWUUGZSUNHKFBRG-IBGZPJMESA-N
XLogP3.50
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine?
The IUPAC name of 4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine (CID 95889226) is 4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine.
What is the SMILES notation for 4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine?
The canonical SMILES for 4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine is C=CCC[C@@H](CN1CCOCC1)Oc1cc(C)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine?
The InChIKey is WUUGZSUNHKFBRG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-4-10-19(16-24-11-13-25-14-12-24)26-20-15-17(2)22-21(23-20)18-8-6-5-7-9-18/h3,5-9,15,19H,1,4,10-14,16H2,2H3/t19-/m0/s1.
What are the key properties of 4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine?
4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(6-methyl-2-phenylpyrimidin-4-yl)oxyhex-5-enyl]morpholine is sourced from PubChem (CID 95889226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).